6DPR
Mapping the binding trajectory of a suicide inhibitor in human indoleamine 2,3-dioxygenase 1
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0002376 | biological_process | immune system process |
| A | 0004833 | molecular_function | L-tryptophan 2,3-dioxygenase activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0006569 | biological_process | L-tryptophan catabolic process |
| A | 0007565 | biological_process | female pregnancy |
| A | 0009055 | molecular_function | electron transfer activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0019441 | biological_process | L-tryptophan catabolic process to kynurenine |
| A | 0019805 | biological_process | quinolinate biosynthetic process |
| A | 0020037 | molecular_function | heme binding |
| A | 0030485 | cellular_component | smooth muscle contractile fiber |
| A | 0032421 | cellular_component | stereocilium bundle |
| A | 0033754 | molecular_function | indoleamine 2,3-dioxygenase activity |
| A | 0034354 | biological_process | 'de novo' NAD+ biosynthetic process from L-tryptophan |
| A | 0046006 | biological_process | regulation of activated T cell proliferation |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0051213 | molecular_function | dioxygenase activity |
| A | 0070234 | biological_process | positive regulation of T cell apoptotic process |
| B | 0002376 | biological_process | immune system process |
| B | 0004833 | molecular_function | L-tryptophan 2,3-dioxygenase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0006569 | biological_process | L-tryptophan catabolic process |
| B | 0007565 | biological_process | female pregnancy |
| B | 0009055 | molecular_function | electron transfer activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0019441 | biological_process | L-tryptophan catabolic process to kynurenine |
| B | 0019805 | biological_process | quinolinate biosynthetic process |
| B | 0020037 | molecular_function | heme binding |
| B | 0030485 | cellular_component | smooth muscle contractile fiber |
| B | 0032421 | cellular_component | stereocilium bundle |
| B | 0033754 | molecular_function | indoleamine 2,3-dioxygenase activity |
| B | 0034354 | biological_process | 'de novo' NAD+ biosynthetic process from L-tryptophan |
| B | 0046006 | biological_process | regulation of activated T cell proliferation |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0051213 | molecular_function | dioxygenase activity |
| B | 0070234 | biological_process | positive regulation of T cell apoptotic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 13 |
| Details | binding site for residue HEM A 501 |
| Chain | Residue |
| A | SER167 |
| A | LEU384 |
| A | LEU388 |
| A | H7P502 |
| A | HOH601 |
| A | VAL170 |
| A | PHE226 |
| A | ALA264 |
| A | GLY265 |
| A | PHE270 |
| A | ARG343 |
| A | HIS346 |
| A | VAL350 |
| site_id | AC2 |
| Number of Residues | 12 |
| Details | binding site for residue H7P A 502 |
| Chain | Residue |
| A | PHE226 |
| A | SER235 |
| A | GLY236 |
| A | TRP237 |
| A | SER263 |
| A | ALA264 |
| A | ILE354 |
| A | HEM501 |
| A | HOH607 |
| A | HOH610 |
| A | HOH615 |
| A | HOH628 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 503 |
| Chain | Residue |
| A | ARG304 |
| A | ASN305 |
| B | GLU311 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 504 |
| Chain | Residue |
| A | PRO121 |
| A | PRO122 |
| B | GLY285 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 505 |
| Chain | Residue |
| A | GLU311 |
| B | GLU119 |
| B | ASN305 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 506 |
| Chain | Residue |
| A | VAL275 |
| A | LEU310 |
| A | ASN313 |
| A | PRO314 |
| A | SER315 |
| site_id | AC7 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 507 |
| Chain | Residue |
| A | ARG329 |
| A | LYS401 |
| site_id | AC8 |
| Number of Residues | 12 |
| Details | binding site for residue H7P B 501 |
| Chain | Residue |
| B | TYR126 |
| B | CYS129 |
| B | VAL130 |
| B | SER167 |
| B | PHE214 |
| B | LEU234 |
| B | SER263 |
| B | ALA264 |
| B | VAL269 |
| B | PHE270 |
| B | ARG343 |
| B | HIS346 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 502 |
| Chain | Residue |
| B | GLY53 |
| B | GLN54 |
| B | ARG56 |
| B | LYS94 |
| B | ASP98 |
Functional Information from PROSITE/UniProt
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Binding site: {"description":"proximal binding residue","evidences":[{"source":"PubMed","id":"16477023","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25313323","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2D0T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2D0U","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PK5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PK6","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
